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Information card for entry 4067288
Preview
| Coordinates | 4067288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tricarbonyl-?4-[(Z)-3-hydroxy-2-(N-phenypivalamido)hexa-1,3-diene]iron(0) |
|---|---|
| Formula | C19 H21 Fe N O5 |
| Calculated formula | C19 H21 Fe N O5 |
| SMILES | C[CH]1=[C]2([C]3(=[CH2][Fe]123(C#[O])(C#[O])C#[O])N(c1ccccc1)C(=O)C(C)(C)C)O |
| Title of publication | Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species |
| Authors of publication | Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 1 |
| Pages of publication | 149 |
| a | 6.7712 ± 0.0001 Å |
| b | 26.8224 ± 0.0007 Å |
| c | 10.7305 ± 0.0002 Å |
| α | 90° |
| β | 95.76 ± 0.002° |
| γ | 90° |
| Cell volume | 1939.03 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1216 |
| Residual factor for significantly intense reflections | 0.0924 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178563 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72. |
4067288.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067288.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067288.cif |
| 34148 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067285, 4067286, 4067287, 4067288 via cif-deposit CGI script. |
4067288.cif |
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